Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50030448   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296309 (4-(ethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(triflu...) Show SMILES CCNc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H22F3N3O3S/c1-2-26-18-7-6-15(12-19(18)31-9-8-29)20(30)28-21-27-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,26,29H,2,8-9,11H2,1H3,(H,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296295 (CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296309 (4-(ethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(triflu...) Show SMILES CCNc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H22F3N3O3S/c1-2-26-18-7-6-15(12-19(18)31-9-8-29)20(30)28-21-27-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,26,29H,2,8-9,11H2,1H3,(H,27,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296305 (3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(t...) Show SMILES COCCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C23H23F3N2O5S/c1-31-9-10-33-19-6-5-16(13-20(19)32-8-7-29)21(30)28-22-27-14-18(34-22)12-15-3-2-4-17(11-15)23(24,25)26/h2-6,11,13-14,29H,7-10,12H2,1H3,(H,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296295 (CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296304 (4-ethoxy-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromet...) Show SMILES CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H21F3N2O4S/c1-2-30-18-7-6-15(12-19(18)31-9-8-28)20(29)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,2,8-9,11H2,1H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296294 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296304 (4-ethoxy-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromet...) Show SMILES CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H21F3N2O4S/c1-2-30-18-7-6-15(12-19(18)31-9-8-28)20(29)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,2,8-9,11H2,1H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296294 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296305 (3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(t...) Show SMILES COCCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C23H23F3N2O5S/c1-31-9-10-33-19-6-5-16(13-20(19)32-8-7-29)21(30)28-22-27-14-18(34-22)12-15-3-2-4-17(11-15)23(24,25)26/h2-6,11,13-14,29H,7-10,12H2,1H3,(H,27,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296308 (4-(diethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trif...) Show SMILES CCN(CC)c1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C24H26F3N3O3S/c1-3-30(4-2)20-9-8-17(14-21(20)33-11-10-31)22(32)29-23-28-15-19(34-23)13-16-6-5-7-18(12-16)24(25,26)27/h5-9,12,14-15,31H,3-4,10-11,13H2,1-2H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296308 (4-(diethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trif...) Show SMILES CCN(CC)c1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C24H26F3N3O3S/c1-3-30(4-2)20-9-8-17(14-21(20)33-11-10-31)22(32)29-23-28-15-19(34-23)13-16-6-5-7-18(12-16)24(25,26)27/h5-9,12,14-15,31H,3-4,10-11,13H2,1-2H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296310 (3-(2-hydroxyethoxy)-4-morpholino-N-(5-(3-(trifluor...) Show SMILES OCCOc1cc(ccc1N1CCOCC1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C24H24F3N3O4S/c25-24(26,27)18-3-1-2-16(12-18)13-19-15-28-23(35-19)29-22(32)17-4-5-20(21(14-17)34-11-8-31)30-6-9-33-10-7-30/h1-5,12,14-15,31H,6-11,13H2,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296307 (4-(dimethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(tri...) Show SMILES CN(C)c1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H22F3N3O3S/c1-28(2)18-7-6-15(12-19(18)31-9-8-29)20(30)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,29H,8-9,11H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296311 (4-acetamido-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoro...) Show SMILES CC(=O)Nc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H20F3N3O4S/c1-13(30)27-18-6-5-15(11-19(18)32-8-7-29)20(31)28-21-26-12-17(33-21)10-14-3-2-4-16(9-14)22(23,24)25/h2-6,9,11-12,29H,7-8,10H2,1H3,(H,27,30)(H,26,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296298 (3-(2-Hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromet...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1nnc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C20H18F3N3O4S/c1-29-15-6-5-13(11-16(15)30-8-7-27)18(28)24-19-26-25-17(31-19)10-12-3-2-4-14(9-12)20(21,22)23/h2-6,9,11,27H,7-8,10H2,1H3,(H,24,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296298 (3-(2-Hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromet...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1nnc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C20H18F3N3O4S/c1-29-15-6-5-13(11-16(15)30-8-7-27)18(28)24-19-26-25-17(31-19)10-12-3-2-4-14(9-12)20(21,22)23/h2-6,9,11,27H,7-8,10H2,1H3,(H,24,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296311 (4-acetamido-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoro...) Show SMILES CC(=O)Nc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H20F3N3O4S/c1-13(30)27-18-6-5-15(11-19(18)32-8-7-29)20(31)28-21-26-12-17(33-21)10-14-3-2-4-16(9-14)22(23,24)25/h2-6,9,11-12,29H,7-8,10H2,1H3,(H,27,30)(H,26,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296310 (3-(2-hydroxyethoxy)-4-morpholino-N-(5-(3-(trifluor...) Show SMILES OCCOc1cc(ccc1N1CCOCC1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C24H24F3N3O4S/c25-24(26,27)18-3-1-2-16(12-18)13-19-15-28-23(35-19)29-22(32)17-4-5-20(21(14-17)34-11-8-31)30-6-9-33-10-7-30/h1-5,12,14-15,31H,6-11,13H2,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296307 (4-(dimethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(tri...) Show SMILES CN(C)c1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H22F3N3O3S/c1-28(2)18-7-6-15(12-19(18)31-9-8-29)20(30)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,29H,8-9,11H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296306 (3,4-bis(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)...) Show SMILES OCCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H21F3N2O5S/c23-22(24,25)16-3-1-2-14(10-16)11-17-13-26-21(33-17)27-20(30)15-4-5-18(31-8-6-28)19(12-15)32-9-7-29/h1-5,10,12-13,28-29H,6-9,11H2,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296306 (3,4-bis(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)...) Show SMILES OCCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H21F3N2O5S/c23-22(24,25)16-3-1-2-14(10-16)11-17-13-26-21(33-17)27-20(30)15-4-5-18(31-8-6-28)19(12-15)32-9-7-29/h1-5,10,12-13,28-29H,6-9,11H2,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296296 (CHEMBL563203 | N-(2-(3,5-bis(trifluoromethyl)benzy...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1cnc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C22H18F6N2O4S/c1-33-16-3-2-13(9-17(16)34-5-4-31)20(32)30-19-11-29-18(35-19)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296303 (CHEMBL564162 | N-(3-(2-hydroxyethoxy)-4-methoxyphe...) Show SMILES COc1ccc(NC(=O)c2ncc(Cc3cccc(c3)C(F)(F)F)s2)cc1OCCO Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-15(11-18(17)30-8-7-27)26-19(28)20-25-12-16(31-20)10-13-3-2-4-14(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296296 (CHEMBL563203 | N-(2-(3,5-bis(trifluoromethyl)benzy...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1cnc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C22H18F6N2O4S/c1-33-16-3-2-13(9-17(16)34-5-4-31)20(32)30-19-11-29-18(35-19)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296303 (CHEMBL564162 | N-(3-(2-hydroxyethoxy)-4-methoxyphe...) Show SMILES COc1ccc(NC(=O)c2ncc(Cc3cccc(c3)C(F)(F)F)s2)cc1OCCO Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-15(11-18(17)30-8-7-27)26-19(28)20-25-12-16(31-20)10-13-3-2-4-14(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296297 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ccc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H20F3NO4S/c1-29-18-7-5-15(13-19(18)30-10-9-27)21(28)26-20-8-6-17(31-20)12-14-3-2-4-16(11-14)22(23,24)25/h2-8,11,13,27H,9-10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296297 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ccc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H20F3NO4S/c1-29-18-7-5-15(13-19(18)30-10-9-27)21(28)26-20-8-6-17(31-20)12-14-3-2-4-16(11-14)22(23,24)25/h2-8,11,13,27H,9-10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296300 (CHEMBL550785 | N-(5-(hydroxy(3-(trifluoromethyl)ph...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(s1)C(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O5S/c1-30-15-6-5-13(10-16(15)31-8-7-27)19(29)26-20-25-11-17(32-20)18(28)12-3-2-4-14(9-12)21(22,23)24/h2-6,9-11,18,27-28H,7-8H2,1H3,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296302 (3-(2-hydroxyethoxy)-4-methoxy-N-methyl-N-(5-(3-(tr...) Show SMILES COc1ccc(cc1OCCO)C(=O)N(C)c1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H21F3N2O4S/c1-27(20(29)15-6-7-18(30-2)19(12-15)31-9-8-28)21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,8-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	828	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296302 (3-(2-hydroxyethoxy)-4-methoxy-N-methyl-N-(5-(3-(tr...) Show SMILES COc1ccc(cc1OCCO)C(=O)N(C)c1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C22H21F3N2O4S/c1-27(20(29)15-6-7-18(30-2)19(12-15)31-9-8-28)21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,8-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	836	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296300 (CHEMBL550785 | N-(5-(hydroxy(3-(trifluoromethyl)ph...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(s1)C(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O5S/c1-30-15-6-5-13(10-16(15)31-8-7-27)19(29)26-20-25-11-17(32-20)18(28)12-3-2-4-14(9-12)21(22,23)24/h2-6,9-11,18,27-28H,7-8H2,1H3,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	884	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296301 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Oc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C20H17F3N2O5S/c1-28-15-6-5-12(9-16(15)29-8-7-26)18(27)25-19-24-11-17(31-19)30-14-4-2-3-13(10-14)20(21,22)23/h2-6,9-11,26H,7-8H2,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296299 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(s1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H17F3N2O5S/c1-30-15-6-5-13(10-16(15)31-8-7-27)19(29)26-20-25-11-17(32-20)18(28)12-3-2-4-14(9-12)21(22,23)24/h2-6,9-11,27H,7-8H2,1H3,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296301 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Oc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C20H17F3N2O5S/c1-28-15-6-5-12(9-16(15)29-8-7-26)18(27)25-19-24-11-17(31-19)30-14-4-2-3-13(10-14)20(21,22)23/h2-6,9-11,26H,7-8H2,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296312 (3-(2-hydroxyethoxy)-4-(methylsulfonamido)-N-(5-(3-...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H20F3N3O5S2/c1-34(30,31)27-17-6-5-14(11-18(17)32-8-7-28)19(29)26-20-25-12-16(33-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27-28H,7-8,10H2,1H3,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296313 (4-(2-(dimethylamino)ethoxy)-3-(2-hydroxyethoxy)-N-...) Show SMILES CN(C)CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C24H26F3N3O4S/c1-30(2)8-10-33-20-7-6-17(14-21(20)34-11-9-31)22(32)29-23-28-15-19(35-23)13-16-4-3-5-18(12-16)24(25,26)27/h3-7,12,14-15,31H,8-11,13H2,1-2H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
					More data for this Ligand-Target Pair